Geometry & MOs

Info

ID:	20122
PubChem CID:	579720
Reduced:	FOSCl2H9C15 (1)
Stoich.:	ABCD2E9F15 (1)
Weight, g/mol:	325.97352
ΔH_f, kcal/mol:	-26.54
Dipole, Da:	2.4
IP(EA), eV:	-9.27(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,5-dichlorophenyl)sulfanyl-1-(4-fluorophenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)C=CSC2=C(C=CC(=C2)Cl)Cl)F

DOS

IR

Vibrations